4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-isobutyl-benzenesulfonamide CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-isobutyl-4-[3-keto-3-(4-piperonylpiperazino)propyl]benzenesulfonamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N3O5S/c1-19(2)16-26-34(30,31)22-7-3-20(4-8-22)6-10-25(29)28-13-11-27(12-14-28)17-21-5-9-23-24(15-21)33-18-32-23/h3-5,7-9,15,19,26H,6,10-14,16-18H2,1-2H3